Geometry & MOs

Info

ID:	390661
PubChem CID:	135000218
Reduced:	ON2C7H14 (2)
Stoich.:	AB2C7D14 (2)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-60.02
Dipole, Da:	5.57
IP(EA), eV:	-9.26(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-2,4,4-trimethylpentan-1-one

Drug info:

PubChemData

Smile

CCC[C@H](CC)NN1C(=NN=C1[C@H](C)OC)[C@H](C)OC

DOS

IR

Vibrations